tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate

C14H23N3O4 — CID 167955060

IUPACtert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate
SMILESCCN(C)C(=O)C(Cc1cnco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O4/c1-6-17(5)12(18)11(7-10-8-15-9-20-10)16-13(19)21-14(2,3)4/h8-9,11H,6-7H2,1-5H3,(H,16,19)
InChIKeyUWJSAFGZLSSOCN-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.59
Rot. Bonds5

About tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 167955060) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate
PubChem CID167955060
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate
SMILESCCN(C)C(=O)C(Cc1cnco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O4/c1-6-17(5)12(18)11(7-10-8-15-9-20-10)16-13(19)21-14(2,3)4/h8-9,11H,6-7H2,1-5H3,(H,16,19)
InChIKeyUWJSAFGZLSSOCN-UHFFFAOYSA-N
XLogP1.59
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate
CID 107250071
(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631
tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate
CID 104941376
tert-butyl N-[[4-[(1,3-oxazol-5-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244234
tert-butyl N-[(2S)-1-[[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 11753771
tert-butyl 3-[(2S)-3-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyrazole-1-carboxylate
CID 162695906
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66132929
tert-butyl N-[(2S)-1-[2-methoxyethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 67385223
tert-butyl N-[1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42943863
(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7018763
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-5-ylpropanoate
CID 118368540
tert-butyl N-[(2S)-1-[bis(2-methylpropyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate
CID 58276939

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate (CID 167955060) is tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate is CCN(C)C(=O)C(Cc1cnco1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is UWJSAFGZLSSOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-6-17(5)12(18)11(7-10-8-15-9-20-10)16-13(19)21-14(2,3)4/h8-9,11H,6-7H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[ethyl(methyl)amino]-3-(1,3-oxazol-5-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 167955060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).