(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one

C13H17N3O3 — CID 124620944

IUPAC(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
SMILESC[C@@H]1C(=O)NCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H17N3O3/c1-8-12(17)14-5-2-6-16(8)13(18)10-7-11(19-15-10)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyWCXGFHKXPYUECE-MRVPVSSYSA-N
MW263.30 g/mol
LogP0.90
Rot. Bonds2

About (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one

(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one (PubChem CID 124620944) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
PubChem CID124620944
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
SMILESC[C@@H]1C(=O)NCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H17N3O3/c1-8-12(17)14-5-2-6-16(8)13(18)10-7-11(19-15-10)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyWCXGFHKXPYUECE-MRVPVSSYSA-N
XLogP0.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331727
methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410330
(3S)-3-methyl-4-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-2-one
CID 136588009
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741830
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124860819
(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one
CID 95703001
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067569
9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 119042459

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one?
The IUPAC name of (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one (CID 124620944) is (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one.
What is the SMILES notation for (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one?
The canonical SMILES for (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one is C[C@@H]1C(=O)NCCCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one?
The InChIKey is WCXGFHKXPYUECE-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-12(17)14-5-2-6-16(8)13(18)10-7-11(19-15-10)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,17)/t8-/m1/s1.
What are the key properties of (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one?
(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 124620944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).