[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate

C16H13ClN2O4 — CID 139798240

IUPAC[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OCc2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C16H13ClN2O4/c1-18-16(20)23-13-7-6-10(8-11(13)17)21-9-15-19-12-4-2-3-5-14(12)22-15/h2-8H,9H2,1H3,(H,18,20)
InChIKeyUYIDCPCTEIVDHK-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.78
Rot. Bonds4

About [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate

[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate (PubChem CID 139798240) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate
PubChem CID139798240
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OCc2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C16H13ClN2O4/c1-18-16(20)23-13-7-6-10(8-11(13)17)21-9-15-19-12-4-2-3-5-14(12)22-15/h2-8H,9H2,1H3,(H,18,20)
InChIKeyUYIDCPCTEIVDHK-UHFFFAOYSA-N
XLogP3.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-(3,4-dichlorophenyl)urea
CID 134466042
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
[4-(1,3-benzoxazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl acetate
CID 18932273
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
CID 47118122
2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide
CID 38902837
1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate?
The IUPAC name of [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate (CID 139798240) is [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate.
What is the SMILES notation for [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate?
The canonical SMILES for [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate is CNC(=O)Oc1ccc(OCc2nc3ccccc3o2)cc1Cl.
What is the InChIKey of [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate?
The InChIKey is UYIDCPCTEIVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-18-16(20)23-13-7-6-10(8-11(13)17)21-9-15-19-12-4-2-3-5-14(12)22-15/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate?
[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate has a molecular weight of 332.74 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate is sourced from PubChem (CID 139798240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).