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

C21H29N3O2 — CID 24718078

IUPACN-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC(C)C
InChIInChI=1S/C21H29N3O2/c1-4-19(25)24(14-16(2)3)15-18-20(17-10-6-5-7-11-17)22-26-21(18)23-12-8-9-13-23/h5-7,10-11,16H,4,8-9,12-15H2,1-3H3
InChIKeyQBSVUFBZTNAWQT-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.34
Rot. Bonds7

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

N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide (PubChem CID 24718078) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
PubChem CID24718078
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC(C)C
InChIInChI=1S/C21H29N3O2/c1-4-19(25)24(14-16(2)3)15-18-20(17-10-6-5-7-11-17)22-26-21(18)23-12-8-9-13-23/h5-7,10-11,16H,4,8-9,12-15H2,1-3H3
InChIKeyQBSVUFBZTNAWQT-UHFFFAOYSA-N
XLogP4.34
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The IUPAC name of N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide (CID 24718078) is N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide is CCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The InChIKey is QBSVUFBZTNAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-19(25)24(14-16(2)3)15-18-20(17-10-6-5-7-11-17)22-26-21(18)23-12-8-9-13-23/h5-7,10-11,16H,4,8-9,12-15H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24718078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).