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

C19H25N3O2 — CID 24718088

IUPACN-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(C)C
InChIInChI=1S/C19H25N3O2/c1-14(2)22(15(3)23)13-17-18(16-9-5-4-6-10-16)20-24-19(17)21-11-7-8-12-21/h4-6,9-10,14H,7-8,11-13H2,1-3H3
InChIKeyMMRIVEHILDWLKM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.70
Rot. Bonds5

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

N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 24718088) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
PubChem CID24718088
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(C)C
InChIInChI=1S/C19H25N3O2/c1-14(2)22(15(3)23)13-17-18(16-9-5-4-6-10-16)20-24-19(17)21-11-7-8-12-21/h4-6,9-10,14H,7-8,11-13H2,1-3H3
InChIKeyMMRIVEHILDWLKM-UHFFFAOYSA-N
XLogP3.70
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide (CID 24718088) is N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide is CC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(C)C.
What is the InChIKey of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is MMRIVEHILDWLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)22(15(3)23)13-17-18(16-9-5-4-6-10-16)20-24-19(17)21-11-7-8-12-21/h4-6,9-10,14H,7-8,11-13H2,1-3H3.
What are the key properties of N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide?
N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 327.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 24718088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).