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

C20H18N2O3 — CID 67974959

IUPAC1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1N
InChIInChI=1S/C20H18N2O3/c1-12-17(21)18(25-22-12)15-4-2-13(3-5-15)14-6-8-16(9-7-14)20(10-11-20)19(23)24/h2-9H,10-11,21H2,1H3,(H,23,24)
InChIKeyNGGCCLNOPRTHLK-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.02
Rot. Bonds4

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

1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 67974959) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID67974959
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1N
InChIInChI=1S/C20H18N2O3/c1-12-17(21)18(25-22-12)15-4-2-13(3-5-15)14-6-8-16(9-7-14)20(10-11-20)19(23)24/h2-9H,10-11,21H2,1H3,(H,23,24)
InChIKeyNGGCCLNOPRTHLK-UHFFFAOYSA-N
XLogP4.02
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 67974959) is 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1N.
What is the InChIKey of 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is NGGCCLNOPRTHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-17(21)18(25-22-12)15-4-2-13(3-5-15)14-6-8-16(9-7-14)20(10-11-20)19(23)24/h2-9H,10-11,21H2,1H3,(H,23,24).
What are the key properties of 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67974959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).