benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate

C15H19N3O5 — CID 56611189

IUPACbenzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate
SMILESCOC1=CC(CNC(=O)CNC(=O)OCc2ccccc2)ON1
InChIInChI=1S/C15H19N3O5/c1-21-14-7-12(23-18-14)8-16-13(19)9-17-15(20)22-10-11-5-3-2-4-6-11/h2-7,12,18H,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyMGJASHXJNHPODR-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.42
Rot. Bonds7

About benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate

benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate (PubChem CID 56611189) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate
PubChem CID56611189
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Namebenzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate
SMILESCOC1=CC(CNC(=O)CNC(=O)OCc2ccccc2)ON1
InChIInChI=1S/C15H19N3O5/c1-21-14-7-12(23-18-14)8-16-13(19)9-17-15(20)22-10-11-5-3-2-4-6-11/h2-7,12,18H,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyMGJASHXJNHPODR-UHFFFAOYSA-N
XLogP0.42
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-5-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 56616155
benzyl N-[2-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate
CID 54104306
methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 118927964
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
benzyl N-[(2S)-1-[(3-chloro-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 56614796
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate
CID 94821785
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate (CID 56611189) is benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate is COC1=CC(CNC(=O)CNC(=O)OCc2ccccc2)ON1.
What is the InChIKey of benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate?
The InChIKey is MGJASHXJNHPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-21-14-7-12(23-18-14)8-16-13(19)9-17-15(20)22-10-11-5-3-2-4-6-11/h2-7,12,18H,8-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate?
benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate has a molecular weight of 321.33 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 56611189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).