N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide

C16H17FN2O2 — CID 129479935

IUPACN-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C16H17FN2O2/c1-10-15(18-9-21-10)16(20)19-14-6-5-12(8-14)11-3-2-4-13(17)7-11/h2-4,7,9,12,14H,5-6,8H2,1H3,(H,19,20)/t12-,14+/m1/s1
InChIKeyAKGKRIOCWJJDNP-OCCSQVGLSA-N
MW288.32 g/mol
LogP3.19
Rot. Bonds3

About N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 129479935) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID129479935
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C16H17FN2O2/c1-10-15(18-9-21-10)16(20)19-14-6-5-12(8-14)11-3-2-4-13(17)7-11/h2-4,7,9,12,14H,5-6,8H2,1H3,(H,19,20)/t12-,14+/m1/s1
InChIKeyAKGKRIOCWJJDNP-OCCSQVGLSA-N
XLogP3.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-fluorophenyl)cyclopentyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 167971710
1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea
CID 128811232
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1-methylindazol-4-yl)urea
CID 66550281
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 110157926
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid
CID 122033757
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
CID 122561508
N-[3-(3-fluorophenyl)cyclobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138044557
3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 146127558

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 129479935) is N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is AKGKRIOCWJJDNP-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-15(18-9-21-10)16(20)19-14-6-5-12(8-14)11-3-2-4-13(17)7-11/h2-4,7,9,12,14H,5-6,8H2,1H3,(H,19,20)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 129479935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).