N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide

C17H21N3O3 — CID 50834708

IUPACN'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide
SMILESO=C(CCC(=O)NC1CCCCC1)Nc1noc2ccccc12
InChIInChI=1S/C17H21N3O3/c21-15(18-12-6-2-1-3-7-12)10-11-16(22)19-17-13-8-4-5-9-14(13)23-20-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,20,22)
InChIKeyMIGMDBBSCPVHKT-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.00
Rot. Bonds5

About N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide

N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide (PubChem CID 50834708) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide.

Molecular Properties

Compound NameN'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide
PubChem CID50834708
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide
SMILESO=C(CCC(=O)NC1CCCCC1)Nc1noc2ccccc12
InChIInChI=1S/C17H21N3O3/c21-15(18-12-6-2-1-3-7-12)10-11-16(22)19-17-13-8-4-5-9-14(13)23-20-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,20,22)
InChIKeyMIGMDBBSCPVHKT-UHFFFAOYSA-N
XLogP3.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide?
The IUPAC name of N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide (CID 50834708) is N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide.
What is the SMILES notation for N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide?
The canonical SMILES for N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide is O=C(CCC(=O)NC1CCCCC1)Nc1noc2ccccc12.
What is the InChIKey of N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide?
The InChIKey is MIGMDBBSCPVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(18-12-6-2-1-3-7-12)10-11-16(22)19-17-13-8-4-5-9-14(13)23-20-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)(H,19,20,22).
What are the key properties of N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide?
N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide has a molecular weight of 315.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-benzoxazol-3-yl)-N-cyclohexylbutanediamide is sourced from PubChem (CID 50834708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).