2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide

C21H23N3O4 — CID 58933806

IUPAC2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCC1CN(CCc2ccccc2)CCO1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C21H23N3O4/c25-20(16-6-7-18-19(12-16)28-21(26)23-18)22-13-17-14-24(10-11-27-17)9-8-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,22,25)(H,23,26)
InChIKeyCGVGANSXABIYFV-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.79
Rot. Bonds6

About 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide

2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 58933806) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide
PubChem CID58933806
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCC1CN(CCc2ccccc2)CCO1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C21H23N3O4/c25-20(16-6-7-18-19(12-16)28-21(26)23-18)22-13-17-14-24(10-11-27-17)9-8-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,22,25)(H,23,26)
InChIKeyCGVGANSXABIYFV-UHFFFAOYSA-N
XLogP1.79
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide (CID 58933806) is 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide is O=C(NCC1CN(CCc2ccccc2)CCO1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is CGVGANSXABIYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-20(16-6-7-18-19(12-16)28-21(26)23-18)22-13-17-14-24(10-11-27-17)9-8-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,22,25)(H,23,26).
What are the key properties of 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide?
2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 58933806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).