1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid

C23H25N3O6 — CID 134226822

IUPAC1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
SMILESCc1cc(Oc2cccc(OCC3CC3)c2)ncc1-c1ncc(OCC(C)NC(=O)O)o1
InChIInChI=1S/C23H25N3O6/c1-14-8-20(31-18-5-3-4-17(9-18)29-13-16-6-7-16)24-10-19(14)22-25-11-21(32-22)30-12-15(2)26-23(27)28/h3-5,8-11,15-16,26H,6-7,12-13H2,1-2H3,(H,27,28)
InChIKeyAGAKDQQGWUGRQI-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.66
Rot. Bonds10

About 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid

1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid (PubChem CID 134226822) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
PubChem CID134226822
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
SMILESCc1cc(Oc2cccc(OCC3CC3)c2)ncc1-c1ncc(OCC(C)NC(=O)O)o1
InChIInChI=1S/C23H25N3O6/c1-14-8-20(31-18-5-3-4-17(9-18)29-13-16-6-7-16)24-10-19(14)22-25-11-21(32-22)30-12-15(2)26-23(27)28/h3-5,8-11,15-16,26H,6-7,12-13H2,1-2H3,(H,27,28)
InChIKeyAGAKDQQGWUGRQI-UHFFFAOYSA-N
XLogP4.66
TPSA115.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853256
[(2S)-1-[[2-[4-(cyclopropylmethoxy)phenyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]carbamic acid
CID 90355040
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226841
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778322
1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea
CID 130472639
tert-butyl N-[(2S)-1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853259
N-[1-[[2-[2-[3-(cyclopropylmethoxy)phenoxy]pyrimidin-5-yl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide
CID 134227042
[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-methyl-1,2-oxazol-3-yl]oxy]propan-2-yl]carbamic acid
CID 67777813
[(2S)-1-[[4-chloro-5-[[4-(cyclopropylmethoxy)benzoyl]amino]-2-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 90354399
N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
CID 90354240
[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid
CID 67778494
N-[(2S)-1-[[2-[4-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
CID 86731418

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
The IUPAC name of 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid (CID 134226822) is 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid is Cc1cc(Oc2cccc(OCC3CC3)c2)ncc1-c1ncc(OCC(C)NC(=O)O)o1.
What is the InChIKey of 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
The InChIKey is AGAKDQQGWUGRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-14-8-20(31-18-5-3-4-17(9-18)29-13-16-6-7-16)24-10-19(14)22-25-11-21(32-22)30-12-15(2)26-23(27)28/h3-5,8-11,15-16,26H,6-7,12-13H2,1-2H3,(H,27,28).
What are the key properties of 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid has a molecular weight of 439.47 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid is sourced from PubChem (CID 134226822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).