N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide

C21H27N3O2 — CID 24718140

IUPACN-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1
InChIInChI=1S/C21H27N3O2/c1-2-19(25)24(14-16-10-11-16)15-18-20(17-8-4-3-5-9-17)22-26-21(18)23-12-6-7-13-23/h3-5,8-9,16H,2,6-7,10-15H2,1H3
InChIKeyURXIRAMZSOGURA-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.09
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide

N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide (PubChem CID 24718140) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
PubChem CID24718140
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1
InChIInChI=1S/C21H27N3O2/c1-2-19(25)24(14-16-10-11-16)15-18-20(17-8-4-3-5-9-17)22-26-21(18)23-12-6-7-13-23/h3-5,8-9,16H,2,6-7,10-15H2,1H3
InChIKeyURXIRAMZSOGURA-UHFFFAOYSA-N
XLogP4.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide (CID 24718140) is N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide is CCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The InChIKey is URXIRAMZSOGURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-19(25)24(14-16-10-11-16)15-18-20(17-8-4-3-5-9-17)22-26-21(18)23-12-6-7-13-23/h3-5,8-9,16H,2,6-7,10-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24718140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).