benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate

C15H17N3O4 — CID 166323967

IUPACbenzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cnco1
InChIInChI=1S/C15H17N3O4/c1-11(14(19)17-8-13-7-16-10-22-13)18-15(20)21-9-12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyCTJDOYBZUTZOJL-LLVKDONJSA-N
MW303.32 g/mol
LogP1.61
Rot. Bonds6

About benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate

benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 166323967) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID166323967
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namebenzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cnco1
InChIInChI=1S/C15H17N3O4/c1-11(14(19)17-8-13-7-16-10-22-13)18-15(20)21-9-12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyCTJDOYBZUTZOJL-LLVKDONJSA-N
XLogP1.61
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate
CID 125470315
benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 14333276
benzyl N-[(2R)-1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate
CID 125470316
benzyl N-[(2S)-1-[(3-chloro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 118798323
benzyl N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate
CID 17443048
3-[2-(phenylmethoxycarbonylamino)propanoylamino]propyl acetate
CID 67664109
hydroxy-oxo-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]phosphanium
CID 57082591
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
benzyl 2-acetyloxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 14377778
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate (CID 166323967) is benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cnco1.
What is the InChIKey of benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is CTJDOYBZUTZOJL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-11(14(19)17-8-13-7-16-10-22-13)18-15(20)21-9-12-5-3-2-4-6-12/h2-7,10-11H,8-9H2,1H3,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(1,3-oxazol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 166323967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).