N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide

C18H25N3O4Si — CID 173172747

IUPACN-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide
SMILESCCC[C@@H](NC(=O)CC[Si](C)(C)C(N)=O)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C18H25N3O4Si/c1-4-7-13(20-15(22)10-11-26(2,3)18(19)24)16(23)17-21-12-8-5-6-9-14(12)25-17/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H2,19,24)(H,20,22)/t13-/m1/s1
InChIKeyPOZBXHVWVLIKEC-CYBMUJFWSA-N
MW375.50 g/mol
LogP3.05
Rot. Bonds9

About N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide

N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide (PubChem CID 173172747) has the molecular formula C18H25N3O4Si and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide
PubChem CID173172747
Molecular FormulaC18H25N3O4Si
Molecular Weight375.50 g/mol
Exact Mass375.16
IUPAC NameN-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide
SMILESCCC[C@@H](NC(=O)CC[Si](C)(C)C(N)=O)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C18H25N3O4Si/c1-4-7-13(20-15(22)10-11-26(2,3)18(19)24)16(23)17-21-12-8-5-6-9-14(12)25-17/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H2,19,24)(H,20,22)/t13-/m1/s1
InChIKeyPOZBXHVWVLIKEC-CYBMUJFWSA-N
XLogP3.05
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide 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

cis-(1S,2R)-2-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1,2-dicarboxamide
CID 69204860
2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
CID 70077251
cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 69204866
N-[1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-4-phenylsulfanyl-2-(2-phenylsulfanylethyl)butanamide
CID 22054064
N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-2-methyl-2,3-bis(2-methylpropylsulfanyl)propanamide
CID 154379325
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]hexanoic acid
CID 120614345
N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide
CID 18517709
N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyrazine-2-carboxamide
CID 10114749
N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]-5-methoxy-1-benzofuran-2-carboxamide
CID 10118698
(2R)-N-[1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-2-(cyclohexylamino)-3-(cyclopropylmethylsulfonyl)propanamide
CID 10141165
N-[2-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-(3-chlorophenyl)benzamide
CID 91173336
methyl N-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]-N-[2-[(2-methoxyphenyl)methylsulfonyl]ethyl]carbamate
CID 57042833

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide?
The IUPAC name of N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide (CID 173172747) is N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide.
What is the SMILES notation for N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide?
The canonical SMILES for N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide is CCC[C@@H](NC(=O)CC[Si](C)(C)C(N)=O)C(=O)c1nc2ccccc2o1.
What is the InChIKey of N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide?
The InChIKey is POZBXHVWVLIKEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O4Si/c1-4-7-13(20-15(22)10-11-26(2,3)18(19)24)16(23)17-21-12-8-5-6-9-14(12)25-17/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H2,19,24)(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide?
N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide has a molecular weight of 375.50 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-3-[carbamoyl(dimethyl)silyl]propanamide is sourced from PubChem (CID 173172747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).