tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate

C17H20N2O5 — CID 67684710

IUPACtert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(CC(=O)c2cocn2)c1
InChIInChI=1S/C17H20N2O5/c1-17(2,3)24-16(21)19-13-6-5-12(22-4)7-11(13)8-15(20)14-9-23-10-18-14/h5-7,9-10H,8H2,1-4H3,(H,19,21)
InChIKeyZLCRXKXJYLKITP-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate (PubChem CID 67684710) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate
PubChem CID67684710
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nametert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(CC(=O)c2cocn2)c1
InChIInChI=1S/C17H20N2O5/c1-17(2,3)24-16(21)19-13-6-5-12(22-4)7-11(13)8-15(20)14-9-23-10-18-14/h5-7,9-10H,8H2,1-4H3,(H,19,21)
InChIKeyZLCRXKXJYLKITP-UHFFFAOYSA-N
XLogP3.46
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid
CID 67772538
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239711
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
CID 69097038
tert-butyl N-[2-[2-(3-ethylphenyl)-2-oxoethyl]-5-methoxyphenyl]carbamate
CID 69097032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate (CID 67684710) is tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)c(CC(=O)c2cocn2)c1.
What is the InChIKey of tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate?
The InChIKey is ZLCRXKXJYLKITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-17(2,3)24-16(21)19-13-6-5-12(22-4)7-11(13)8-15(20)14-9-23-10-18-14/h5-7,9-10H,8H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate has a molecular weight of 332.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 67684710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).