5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide

C21H26N2O2 — CID 26918414

IUPAC5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C21H26N2O2/c1-13-17(18(23-25-13)14-8-6-5-7-9-14)19(24)22-16-12-15-10-11-21(16,4)20(15,2)3/h5-9,15-16H,10-12H2,1-4H3,(H,22,24)/t15-,16-,21+/m0/s1
InChIKeyRPQXDXXKYICBSQ-CKJXQJPGSA-N
MW338.45 g/mol
LogP4.59
Rot. Bonds3

About 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide (PubChem CID 26918414) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
PubChem CID26918414
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C21H26N2O2/c1-13-17(18(23-25-13)14-8-6-5-7-9-14)19(24)22-16-12-15-10-11-21(16,4)20(15,2)3/h5-9,15-16H,10-12H2,1-4H3,(H,22,24)/t15-,16-,21+/m0/s1
InChIKeyRPQXDXXKYICBSQ-CKJXQJPGSA-N
XLogP4.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-phenyl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 18532251
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138383979
5-(furan-2-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-3-carboxamide
CID 98785750
N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
CID 22956895
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
N-[(1R,2'S,3R,4R)-1-hydroxyspiro[2-oxa-1-azoniabicyclo[1.1.0]butane-4,5'-2H-1,3-thiazole]-2'-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 176533158
5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 7809111
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide (CID 26918414) is 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RPQXDXXKYICBSQ-CKJXQJPGSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-17(18(23-25-13)14-8-6-5-7-9-14)19(24)22-16-12-15-10-11-21(16,4)20(15,2)3/h5-9,15-16H,10-12H2,1-4H3,(H,22,24)/t15-,16-,21+/m0/s1.
What are the key properties of 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 26918414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).