5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide

C14H20N2O3 — CID 125159360

IUPAC5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1COC2(CCCCC2)C1
InChIInChI=1S/C14H20N2O3/c1-10-12(15-9-18-10)13(17)16-11-7-14(19-8-11)5-3-2-4-6-14/h9,11H,2-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWGICIPILBXEJDU-NSHDSACASA-N
MW264.32 g/mol
LogP2.20
Rot. Bonds2

About 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide

5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 125159360) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID125159360
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1COC2(CCCCC2)C1
InChIInChI=1S/C14H20N2O3/c1-10-12(15-9-18-10)13(17)16-11-7-14(19-8-11)5-3-2-4-6-14/h9,11H,2-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWGICIPILBXEJDU-NSHDSACASA-N
XLogP2.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Oxazolecarboxamide, 2-cyclohexyl-N-ethyl-5-methyl-
CID 3040078
N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-5-methyl-1,3-oxazole-4-carboxamide hydrochloride
CID 72918063
N-(cyclohexylmethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195171
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138035485
1-Oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 122134871
N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 122153301
N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535055
N-[(1S,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535056
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535057
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535058
N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 126793993

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide (CID 125159360) is 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@@H]1COC2(CCCCC2)C1.
What is the InChIKey of 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is WGICIPILBXEJDU-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-12(15-9-18-10)13(17)16-11-7-14(19-8-11)5-3-2-4-6-14/h9,11H,2-8H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 125159360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).