N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C15H24N2O3 — CID 70776088

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(O)CCCCC2)on1
InChIInChI=1S/C15H24N2O3/c1-11(2)8-12-9-13(20-17-12)14(18)16-10-15(19)6-4-3-5-7-15/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyGCFLLAMPFMKERT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70776088) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70776088
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(O)CCCCC2)on1
InChIInChI=1S/C15H24N2O3/c1-11(2)8-12-9-13(20-17-12)14(18)16-10-15(19)6-4-3-5-7-15/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyGCFLLAMPFMKERT-UHFFFAOYSA-N
XLogP2.30
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70776088) is N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC2(O)CCCCC2)on1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GCFLLAMPFMKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)8-12-9-13(20-17-12)14(18)16-10-15(19)6-4-3-5-7-15/h9,11,19H,3-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70776088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).