N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide

C20H17ClN2O4 — CID 136980582

IUPACN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-10-2-4-11(5-3-10)17-18(13-8-14(21)16(25)9-15(13)24)23-27-20(17)22-19(26)12-6-7-12/h2-5,8-9,12,24-25H,6-7H2,1H3,(H,22,26)
InChIKeyYZUZCXZAZIXGKW-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.73
Rot. Bonds4

About N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide

N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide (PubChem CID 136980582) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
PubChem CID136980582
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC NameN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-10-2-4-11(5-3-10)17-18(13-8-14(21)16(25)9-15(13)24)23-27-20(17)22-19(26)12-6-7-12/h2-5,8-9,12,24-25H,6-7H2,1H3,(H,22,26)
InChIKeyYZUZCXZAZIXGKW-UHFFFAOYSA-N
XLogP4.73
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride
CID 137169018
N-[4-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-[2-hydroxy-4-[(1S)-2-methylcyclopropyl]oxy-5-propan-2-ylphenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide
CID 144602750
ethyl 3-(4-chlorophenyl)-5-(cyclopropanecarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742821
N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 144602762
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
ethyl 5-[(4-butylcyclohexanecarbonyl)amino]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 108742814
N-[4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclopropanecarboxamide
CID 117062774
2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid
CID 175242426
N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
CID 90128547
2-[5-(cyclopropanecarbonylamino)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzoic acid
CID 174473755
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773853

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide (CID 136980582) is N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide is Cc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The InChIKey is YZUZCXZAZIXGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-10-2-4-11(5-3-10)17-18(13-8-14(21)16(25)9-15(13)24)23-27-20(17)22-19(26)12-6-7-12/h2-5,8-9,12,24-25H,6-7H2,1H3,(H,22,26).
What are the key properties of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 136980582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).