(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide

C15H24N4O3 — CID 124946177

IUPAC(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCN(C)C[C@H](C(N)=O)C2)on1
InChIInChI=1S/C15H24N4O3/c1-10(2)6-12-7-13(22-17-12)15(21)19-5-4-18(3)8-11(9-19)14(16)20/h7,10-11H,4-6,8-9H2,1-3H3,(H2,16,20)/t11-/m0/s1
InChIKeyBWIMPXSZAVUVLA-NSHDSACASA-N
MW308.38 g/mol
LogP0.36
Rot. Bonds4

About (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide

(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide (PubChem CID 124946177) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide
PubChem CID124946177
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCN(C)C[C@H](C(N)=O)C2)on1
InChIInChI=1S/C15H24N4O3/c1-10(2)6-12-7-13(22-17-12)15(21)19-5-4-18(3)8-11(9-19)14(16)20/h7,10-11H,4-6,8-9H2,1-3H3,(H2,16,20)/t11-/m0/s1
InChIKeyBWIMPXSZAVUVLA-NSHDSACASA-N
XLogP0.36
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide (CID 124946177) is (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide is CC(C)Cc1cc(C(=O)N2CCN(C)C[C@H](C(N)=O)C2)on1.
What is the InChIKey of (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide?
The InChIKey is BWIMPXSZAVUVLA-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)6-12-7-13(22-17-12)15(21)19-5-4-18(3)8-11(9-19)14(16)20/h7,10-11H,4-6,8-9H2,1-3H3,(H2,16,20)/t11-/m0/s1.
What are the key properties of (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide?
(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124946177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).