[3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate

C18H17N3O3 — CID 46892231

IUPAC[3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(NCc3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O3/c19-18(22)23-12-16-10-17(21-24-16)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-10,20H,11-12H2,(H2,19,22)
InChIKeyDPEVTKHESYGSHX-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.55
Rot. Bonds6

About [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate

[3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate (PubChem CID 46892231) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate
PubChem CID46892231
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(NCc3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O3/c19-18(22)23-12-16-10-17(21-24-16)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-10,20H,11-12H2,(H2,19,22)
InChIKeyDPEVTKHESYGSHX-UHFFFAOYSA-N
XLogP3.55
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The IUPAC name of [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate (CID 46892231) is [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate is NC(=O)OCc1cc(-c2ccc(NCc3ccccc3)cc2)no1.
What is the InChIKey of [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The InChIKey is DPEVTKHESYGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-18(22)23-12-16-10-17(21-24-16)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-10,20H,11-12H2,(H2,19,22).
What are the key properties of [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate?
[3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(benzylamino)phenyl]-1,2-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 46892231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).