tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate

C19H20N2O3 — CID 166446222

IUPACtert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
SMILESCc1ccc2oc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nc2c1
InChIInChI=1S/C19H20N2O3/c1-12-5-10-16-15(11-12)21-17(23-16)13-6-8-14(9-7-13)20-18(22)24-19(2,3)4/h5-11H,1-4H3,(H,20,22)
InChIKeyOAJNYYVXQOUTFO-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.15
Rot. Bonds2

About tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate

tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate (PubChem CID 166446222) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
PubChem CID166446222
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nametert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
SMILESCc1ccc2oc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nc2c1
InChIInChI=1S/C19H20N2O3/c1-12-5-10-16-15(11-12)21-17(23-16)13-6-8-14(9-7-13)20-18(22)24-19(2,3)4/h5-11H,1-4H3,(H,20,22)
InChIKeyOAJNYYVXQOUTFO-UHFFFAOYSA-N
XLogP5.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(5-methylfuro[3,2-b]pyridin-2-yl)phenyl]carbamate
CID 142520421
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
2-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 17099656
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 803977
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate (CID 166446222) is tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate is Cc1ccc2oc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nc2c1.
What is the InChIKey of tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate?
The InChIKey is OAJNYYVXQOUTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-5-10-16-15(11-12)21-17(23-16)13-6-8-14(9-7-13)20-18(22)24-19(2,3)4/h5-11H,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate?
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate is sourced from PubChem (CID 166446222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).