N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide

C15H21N3O3 — CID 155871943

IUPACN-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide
SMILESCCC(=O)NC1CCc2onc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C15H21N3O3/c1-2-13(19)16-10-5-6-12-11(9-10)14(17-21-12)15(20)18-7-3-4-8-18/h10H,2-9H2,1H3,(H,16,19)
InChIKeyPLEHKIQHIKPJNJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.29
Rot. Bonds3

About N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide

N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide (PubChem CID 155871943) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide
PubChem CID155871943
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide
SMILESCCC(=O)NC1CCc2onc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C15H21N3O3/c1-2-13(19)16-10-5-6-12-11(9-10)14(17-21-12)15(20)18-7-3-4-8-18/h10H,2-9H2,1H3,(H,16,19)
InChIKeyPLEHKIQHIKPJNJ-UHFFFAOYSA-N
XLogP1.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide (CID 155871943) is N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide is CCC(=O)NC1CCc2onc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide?
The InChIKey is PLEHKIQHIKPJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-13(19)16-10-5-6-12-11(9-10)14(17-21-12)15(20)18-7-3-4-8-18/h10H,2-9H2,1H3,(H,16,19).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide?
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 155871943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).