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

C21H22N2O4 — CID 59262979

IUPACtert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)co2)c1
InChIInChI=1S/C21H22N2O4/c1-21(2,3)27-20(24)22-16-10-8-14(9-11-16)18-13-26-19(23-18)15-6-5-7-17(12-15)25-4/h5-13H,1-4H3,(H,22,24)
InChIKeyBNSYNLBKAFFSCO-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.36
Rot. Bonds4

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

tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate (PubChem CID 59262979) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate
PubChem CID59262979
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nametert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)co2)c1
InChIInChI=1S/C21H22N2O4/c1-21(2,3)27-20(24)22-16-10-8-14(9-11-16)18-13-26-19(23-18)15-6-5-7-17(12-15)25-4/h5-13H,1-4H3,(H,22,24)
InChIKeyBNSYNLBKAFFSCO-UHFFFAOYSA-N
XLogP5.36
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228883
tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
CID 170596502
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392848
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222
4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
CID 166339062
tert-butyl N-[2-acetyl-5-(3-methoxyphenyl)-3-pyridinyl]carbamate;ethane
CID 176580229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate (CID 59262979) is tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate is COc1cccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)co2)c1.
What is the InChIKey of tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate?
The InChIKey is BNSYNLBKAFFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(2,3)27-20(24)22-16-10-8-14(9-11-16)18-13-26-19(23-18)15-6-5-7-17(12-15)25-4/h5-13H,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate?
tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 59262979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).