(3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide

C19H28N4O2 — CID 99713793

IUPAC(3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
SMILESCc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C2CCCCC2)nn1C
InChIInChI=1S/C19H28N4O2/c1-12(19-13(2)22-25-14(19)3)10-18(24)20-17-11-16(21-23(17)4)15-8-6-5-7-9-15/h11-12,15H,5-10H2,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyBZBQQPULFSSIKD-LBPRGKRZSA-N
MW344.46 g/mol
LogP4.20
Rot. Bonds5

About (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide

(3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide (PubChem CID 99713793) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
PubChem CID99713793
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
SMILESCc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C2CCCCC2)nn1C
InChIInChI=1S/C19H28N4O2/c1-12(19-13(2)22-25-14(19)3)10-18(24)20-17-11-16(21-23(17)4)15-8-6-5-7-9-15/h11-12,15H,5-10H2,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyBZBQQPULFSSIKD-LBPRGKRZSA-N
XLogP4.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The IUPAC name of (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide (CID 99713793) is (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The canonical SMILES for (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide is Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C2CCCCC2)nn1C.
What is the InChIKey of (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The InChIKey is BZBQQPULFSSIKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(19-13(2)22-25-14(19)3)10-18(24)20-17-11-16(21-23(17)4)15-8-6-5-7-9-15/h11-12,15H,5-10H2,1-4H3,(H,20,24)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
(3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide has a molecular weight of 344.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 99713793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).