1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid

C29H27N3O4 — CID 66579289

IUPAC1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2cc(C3(C(=O)O)CC3)ccc2-c2ccccc2)c1Nc1cccc(OCC2CC2)n1
InChIInChI=1S/C29H27N3O4/c1-18-26(31-24-8-5-9-25(30-24)35-17-19-10-11-19)27(36-32-18)23-16-21(29(14-15-29)28(33)34)12-13-22(23)20-6-3-2-4-7-20/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3,(H,30,31)(H,33,34)
InChIKeyMYTBBBRXQIVSOQ-UHFFFAOYSA-N
MW481.55 g/mol
LogP6.36
Rot. Bonds9

About 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid

1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid (PubChem CID 66579289) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid
PubChem CID66579289
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC Name1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2cc(C3(C(=O)O)CC3)ccc2-c2ccccc2)c1Nc1cccc(OCC2CC2)n1
InChIInChI=1S/C29H27N3O4/c1-18-26(31-24-8-5-9-25(30-24)35-17-19-10-11-19)27(36-32-18)23-16-21(29(14-15-29)28(33)34)12-13-22(23)20-6-3-2-4-7-20/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3,(H,30,31)(H,33,34)
InChIKeyMYTBBBRXQIVSOQ-UHFFFAOYSA-N
XLogP6.36
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[3-[3-methyl-4-[(6-phenyl-2-pyridinyl)amino]-1,2-oxazol-5-yl]-4-phenylphenyl]cyclobutane-1-carboxylate
CID 66579485
1-[4-[4-[3-methyl-4-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66579976
1-[4-[4-[4-[(6-bromo-2-pyridinyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 87057760
1-[4-[4-[4-[[6-(6-ethoxy-3-pyridinyl)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51349165
ethyl 1-[4-[4-[3-methyl-4-[(6-phenoxy-2-pyridinyl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66581271
1-[4-[4-[3-methyl-4-[[6-(N-methylanilino)-2-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51347273
1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51347723
ethyl 1-[4-[4-[4-[(6-cyclopentyl-2-pyridinyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 89451362
1-[4-[4-[4-[(cyclopropylmethylamino)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578438
sodium 1-[4-[4-[4-[(6-benzyl-2-pyridinyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 67094219
1-[3-(4-chlorophenyl)-4-(cyclopropylmethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 66940685
1-[4-[4-[5-methyl-4-[[6-(3-methylphenyl)-2-pyridinyl]amino]-1,2-oxazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66558642

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid (CID 66579289) is 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid is Cc1noc(-c2cc(C3(C(=O)O)CC3)ccc2-c2ccccc2)c1Nc1cccc(OCC2CC2)n1.
What is the InChIKey of 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MYTBBBRXQIVSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4/c1-18-26(31-24-8-5-9-25(30-24)35-17-19-10-11-19)27(36-32-18)23-16-21(29(14-15-29)28(33)34)12-13-22(23)20-6-3-2-4-7-20/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3,(H,30,31)(H,33,34).
What are the key properties of 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid?
1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid has a molecular weight of 481.55 g/mol, XLogP of 6.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[6-(cyclopropylmethoxy)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]-4-phenylphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66579289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).