N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C17H23N3O4 — CID 127398339

IUPACN-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)C1=O)c1noc2c1CCCC2
InChIInChI=1S/C17H23N3O4/c21-16(15-12-3-1-2-4-14(12)24-19-15)18-13-5-8-20(17(13)22)11-6-9-23-10-7-11/h11,13H,1-10H2,(H,18,21)
InChIKeyWVHXZXWYZWTLLM-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.06
Rot. Bonds3

About N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 127398339) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID127398339
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)C1=O)c1noc2c1CCCC2
InChIInChI=1S/C17H23N3O4/c21-16(15-12-3-1-2-4-14(12)24-19-15)18-13-5-8-20(17(13)22)11-6-9-23-10-7-11/h11,13H,1-10H2,(H,18,21)
InChIKeyWVHXZXWYZWTLLM-UHFFFAOYSA-N
XLogP1.06
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 127398339) is N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC1CCN(C2CCOCC2)C1=O)c1noc2c1CCCC2.
What is the InChIKey of N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is WVHXZXWYZWTLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(15-12-3-1-2-4-14(12)24-19-15)18-13-5-8-20(17(13)22)11-6-9-23-10-7-11/h11,13H,1-10H2,(H,18,21).
What are the key properties of N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 127398339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).