[(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C20H29N3O3 — CID 167772991

IUPAC[(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCc1nocc1C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C)C2C(C)C
InChIInChI=1S/C20H29N3O3/c1-12(2)17-20(11-23(17)19(25)15-9-13(15)3)5-7-22(8-6-20)18(24)16-10-26-21-14(16)4/h10,12-13,15,17H,5-9,11H2,1-4H3/t13-,15-,17?/m1/s1
InChIKeyZMMAIZIQUXXZMM-KQSHLBLPSA-N
MW359.47 g/mol
LogP2.73
Rot. Bonds3

About [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone

[(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 167772991) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone
PubChem CID167772991
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name[(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCc1nocc1C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C)C2C(C)C
InChIInChI=1S/C20H29N3O3/c1-12(2)17-20(11-23(17)19(25)15-9-13(15)3)5-7-22(8-6-20)18(24)16-10-26-21-14(16)4/h10,12-13,15,17H,5-9,11H2,1-4H3/t13-,15-,17?/m1/s1
InChIKeyZMMAIZIQUXXZMM-KQSHLBLPSA-N
XLogP2.73
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone 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

[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 131651452
1-(cyclopropylmethyl)-8-(3-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493798
ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 110853959
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072732
(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074824
N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90011744
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methyl-1,2-oxazol-4-yl)methanone
CID 68602310
1-ethyl-8-(3-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118739664
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 135208529
(3-ethylsulfanylazepan-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 126839952

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 167772991) is [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone is Cc1nocc1C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C)C2C(C)C.
What is the InChIKey of [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is ZMMAIZIQUXXZMM-KQSHLBLPSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-12(2)17-20(11-23(17)19(25)15-9-13(15)3)5-7-22(8-6-20)18(24)16-10-26-21-14(16)4/h10,12-13,15,17H,5-9,11H2,1-4H3/t13-,15-,17?/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
[(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopropyl]-[7-(3-methyl-1,2-oxazole-4-carbonyl)-3-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 167772991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).