N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C16H24N2O2 — CID 124591295

IUPACN-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)no1
InChIInChI=1S/C16H24N2O2/c1-10(2)15-9-14(18-20-15)16(19)17-13-8-12(13)11-6-4-3-5-7-11/h9-13H,3-8H2,1-2H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyNTGKISKTVTUOTL-QWHCGFSZSA-N
MW276.38 g/mol
LogP3.50
Rot. Bonds4

About N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 124591295) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID124591295
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)no1
InChIInChI=1S/C16H24N2O2/c1-10(2)15-9-14(18-20-15)16(19)17-13-8-12(13)11-6-4-3-5-7-11/h9-13H,3-8H2,1-2H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyNTGKISKTVTUOTL-QWHCGFSZSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124738558
methyl (1S,2R,3R,4S)-3-[(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124739072
N,N-dicyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253281
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56731507
N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 147422371
5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 70709515
N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043051
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 70745109

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 124591295) is N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)no1.
What is the InChIKey of N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NTGKISKTVTUOTL-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)15-9-14(18-20-15)16(19)17-13-8-12(13)11-6-4-3-5-7-11/h9-13H,3-8H2,1-2H3,(H,17,19)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124591295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).