benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

C23H25N3O4 — CID 47935345

IUPACbenzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCc1noc(C)c1CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H25N3O4/c1-16-20(17(2)30-26-16)14-24-22(27)21(13-18-9-5-3-6-10-18)25-23(28)29-15-19-11-7-4-8-12-19/h3-12,21H,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQMKPXOZHJABJHB-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.45
Rot. Bonds8

About benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 47935345) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID47935345
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namebenzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCc1noc(C)c1CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H25N3O4/c1-16-20(17(2)30-26-16)14-24-22(27)21(13-18-9-5-3-6-10-18)25-23(28)29-15-19-11-7-4-8-12-19/h3-12,21H,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQMKPXOZHJABJHB-UHFFFAOYSA-N
XLogP3.45
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 47935345) is benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is Cc1noc(C)c1CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is QMKPXOZHJABJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-20(17(2)30-26-16)14-24-22(27)21(13-18-9-5-3-6-10-18)25-23(28)29-15-19-11-7-4-8-12-19/h3-12,21H,13-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 47935345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).