[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid

C21H25N3O4 — CID 154944157

IUPAC[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid
SMILESCc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)O)C(C2CC2)C2CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-11-17(12(2)28-24-11)13-7-9-16(10-8-13)22-20(25)19(23-21(26)27)18(14-3-4-14)15-5-6-15/h7-10,14-15,18-19,23H,3-6H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyRFJXGKBZKZCFHF-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.97
Rot. Bonds7

About [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid

[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid (PubChem CID 154944157) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid
PubChem CID154944157
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid
SMILESCc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)O)C(C2CC2)C2CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-11-17(12(2)28-24-11)13-7-9-16(10-8-13)22-20(25)19(23-21(26)27)18(14-3-4-14)15-5-6-15/h7-10,14-15,18-19,23H,3-6H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyRFJXGKBZKZCFHF-UHFFFAOYSA-N
XLogP3.97
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea
CID 110669925
N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(2-hydroxypropyl)pyrazole-3-carboxamide
CID 156779255
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110669843
N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 156779286
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669835
[4-[4-[[(2S)-3,3-dicyclopropyl-2-[(2-ethylpyrazole-3-carbonyl)amino]propanoyl]amino]phenyl]-3,5-dimethylpyrazol-1-yl]methyl dihydrogen phosphate
CID 151038071
N-[(2S)-1,1-dicyclopropyl-3-[4-[3-methyl-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 156779287
N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(4,4,4-trifluoro-3-hydroxybutyl)pyrazole-3-carboxamide
CID 156779197
2-amino-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846568
N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
CID 167148925
2-amino-3,3-dicyclopropyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanamide
CID 167148891
CID 164806514
CID 164806514

Frequently Asked Questions

What is the IUPAC name of [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid (CID 154944157) is [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid is Cc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)O)C(C2CC2)C2CC2)cc1.
What is the InChIKey of [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid?
The InChIKey is RFJXGKBZKZCFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-11-17(12(2)28-24-11)13-7-9-16(10-8-13)22-20(25)19(23-21(26)27)18(14-3-4-14)15-5-6-15/h7-10,14-15,18-19,23H,3-6H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid?
[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid has a molecular weight of 383.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 154944157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).