1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C28H22N4O4 — CID 51349030

IUPAC1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C28H22N4O4/c1-17-23(29-27-31-30-25(35-27)21-5-3-2-4-6-21)24(36-32-17)20-9-7-18(8-10-20)19-11-13-22(14-12-19)28(15-16-28)26(33)34/h2-14H,15-16H2,1H3,(H,29,31)(H,33,34)
InChIKeyGIYOLJJUFPDRGW-UHFFFAOYSA-N
MW478.51 g/mol
LogP6.23
Rot. Bonds7

About 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 51349030) has the molecular formula C28H22N4O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID51349030
Molecular FormulaC28H22N4O4
Molecular Weight478.51 g/mol
Exact Mass478.16
IUPAC Name1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C28H22N4O4/c1-17-23(29-27-31-30-25(35-27)21-5-3-2-4-6-21)24(36-32-17)20-9-7-18(8-10-20)19-11-13-22(14-12-19)28(15-16-28)26(33)34/h2-14H,15-16H2,1H3,(H,29,31)(H,33,34)
InChIKeyGIYOLJJUFPDRGW-UHFFFAOYSA-N
XLogP6.23
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

CID 49792850
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CID 49838688
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CID 46239204
CID 46239204
CID 49838430
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CID 68751267
CID 68751267
CID 68782994
CID 68782994
CID 68783812
CID 68783812
CID 75182768
CID 75182768
CID 77553066
CID 77553066
CID 77553171
CID 77553171
CID 134565985
CID 134565985
CID 49838173
CID 49838173

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 51349030) is 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is GIYOLJJUFPDRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4/c1-17-23(29-27-31-30-25(35-27)21-5-3-2-4-6-21)24(36-32-17)20-9-7-18(8-10-20)19-11-13-22(14-12-19)28(15-16-28)26(33)34/h2-14H,15-16H2,1H3,(H,29,31)(H,33,34).
What are the key properties of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 478.51 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51349030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).