N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide

C16H26N2O2 — CID 127987529

IUPACN-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C)(C)CC1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-12-14(20-11-17-12)15(19)18-16(2,3)10-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,18,19)
InChIKeyONNULIRPRUVSPH-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.85
Rot. Bonds4

About N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide

N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 127987529) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID127987529
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C)(C)CC1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-12-14(20-11-17-12)15(19)18-16(2,3)10-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,18,19)
InChIKeyONNULIRPRUVSPH-UHFFFAOYSA-N
XLogP3.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide (CID 127987529) is N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC(C)(C)CC1CCCCCC1.
What is the InChIKey of N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ONNULIRPRUVSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-14(20-11-17-12)15(19)18-16(2,3)10-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 127987529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).