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

C16H20N2O4 — CID 68817763

IUPACtert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
SMILESCOc1cccc(-c2cc(CNC(=O)OC(C)(C)C)on2)c1
InChIInChI=1S/C16H20N2O4/c1-16(2,3)21-15(19)17-10-13-9-14(18-22-13)11-6-5-7-12(8-11)20-4/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyNBHCRMITIJCDNF-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.37
Rot. Bonds4

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

tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate (PubChem CID 68817763) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
PubChem CID68817763
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nametert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
SMILESCOc1cccc(-c2cc(CNC(=O)OC(C)(C)C)on2)c1
InChIInChI=1S/C16H20N2O4/c1-16(2,3)21-15(19)17-10-13-9-14(18-22-13)11-6-5-7-12(8-11)20-4/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyNBHCRMITIJCDNF-UHFFFAOYSA-N
XLogP3.37
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118769027
benzyl (3S)-4-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 51050830
N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154903600
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97127802
5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 137334221
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54010314
3-(3-methoxyphenyl)-N-methyl-1,2-oxazol-5-amine
CID 134400305
(1R,9S)-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide
CID 172670481

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate (CID 68817763) is tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate is COc1cccc(-c2cc(CNC(=O)OC(C)(C)C)on2)c1.
What is the InChIKey of tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
The InChIKey is NBHCRMITIJCDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)21-15(19)17-10-13-9-14(18-22-13)11-6-5-7-12(8-11)20-4/h5-9H,10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate?
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate is sourced from PubChem (CID 68817763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).