N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide

C11H15FN2O2 — CID 126793993

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H15FN2O2/c1-7-10(13-6-16-7)11(15)14-9-5-3-2-4-8(9)12/h6,8-9H,2-5H2,1H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyPGMJRKXLUTZIMZ-RKDXNWHRSA-N
MW226.25 g/mol
LogP1.99
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 126793993) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID126793993
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H15FN2O2/c1-7-10(13-6-16-7)11(15)14-9-5-3-2-4-8(9)12/h6,8-9H,2-5H2,1H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyPGMJRKXLUTZIMZ-RKDXNWHRSA-N
XLogP1.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195138
N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-5-methyl-1,3-oxazole-4-carboxamide hydrochloride
CID 72918063
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
N-Cyclohexyl-5-methyl-2-(propan-2-YL)-1,3-oxazole-4-carboxamide
CID 53195198
N-{2-[cyclohexyl(methyl)amino]ethyl}-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195185
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
1-Cyclohexyl-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 75397410
Methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 75441942
5-methyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-1,3-oxazole-4-carboxamide
CID 118772730
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide
CID 125159360

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 126793993) is N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is PGMJRKXLUTZIMZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-10(13-6-16-7)11(15)14-9-5-3-2-4-8(9)12/h6,8-9H,2-5H2,1H3,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126793993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).