4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one

C21H29N5O3 — CID 56876330

IUPAC4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1c(-c2cc(C(=O)N3CCC(=O)N(CC4CC4)C(C(C)C)C3)no2)cnn1C
InChIInChI=1S/C21H29N5O3/c1-13(2)18-12-25(8-7-20(27)26(18)11-15-5-6-15)21(28)17-9-19(29-23-17)16-10-22-24(4)14(16)3/h9-10,13,15,18H,5-8,11-12H2,1-4H3
InChIKeyLBFLOCLWVWQZAN-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.49
Rot. Bonds5

About 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 56876330) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID56876330
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1c(-c2cc(C(=O)N3CCC(=O)N(CC4CC4)C(C(C)C)C3)no2)cnn1C
InChIInChI=1S/C21H29N5O3/c1-13(2)18-12-25(8-7-20(27)26(18)11-15-5-6-15)21(28)17-9-19(29-23-17)16-10-22-24(4)14(16)3/h9-10,13,15,18H,5-8,11-12H2,1-4H3
InChIKeyLBFLOCLWVWQZAN-UHFFFAOYSA-N
XLogP2.49
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-1,4-diazepan-5-one
CID 95556129
4-(cyclopropylmethyl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56916033
(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 95525179
(3S)-4-(cyclopropylmethyl)-1-(1-methylindazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95713276
(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,4-diazepan-5-one
CID 95553751
N-[4-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 95402543
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 157016584
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70777701
1-(2-amino-1,3-benzothiazole-5-carbonyl)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 56865336
(3R)-1-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95551845
(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 95468924
4-(cyclopropylmethyl)-3-propan-2-yl-1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 56895019

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one (CID 56876330) is 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one is Cc1c(-c2cc(C(=O)N3CCC(=O)N(CC4CC4)C(C(C)C)C3)no2)cnn1C.
What is the InChIKey of 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is LBFLOCLWVWQZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-13(2)18-12-25(8-7-20(27)26(18)11-15-5-6-15)21(28)17-9-19(29-23-17)16-10-22-24(4)14(16)3/h9-10,13,15,18H,5-8,11-12H2,1-4H3.
What are the key properties of 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 399.50 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56876330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).