N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

C14H22N2O2 — CID 53195198

IUPACN-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-9(2)14-16-12(10(3)18-14)13(17)15-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,15,17)
InChIKeyMLXPTMVOJWCSHI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.17
Rot. Bonds3

About N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 53195198) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID53195198
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-9(2)14-16-12(10(3)18-14)13(17)15-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,15,17)
InChIKeyMLXPTMVOJWCSHI-UHFFFAOYSA-N
XLogP3.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 53195198) is N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is MLXPTMVOJWCSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)14-16-12(10(3)18-14)13(17)15-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).