(3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide

C19H21N3O3 — CID 97221496

IUPAC(3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3ccc4c(c3)CCC4)no2)C1
InChIInChI=1S/C19H21N3O3/c1-12(23)22-8-7-16(11-22)19(24)20-18-10-17(21-25-18)15-6-5-13-3-2-4-14(13)9-15/h5-6,9-10,16H,2-4,7-8,11H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyXPVUAKRPZCGLQI-MRXNPFEDSA-N
MW339.40 g/mol
LogP2.64
Rot. Bonds3

About (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide

(3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 97221496) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID97221496
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3ccc4c(c3)CCC4)no2)C1
InChIInChI=1S/C19H21N3O3/c1-12(23)22-8-7-16(11-22)19(24)20-18-10-17(21-25-18)15-6-5-13-3-2-4-14(13)9-15/h5-6,9-10,16H,2-4,7-8,11H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyXPVUAKRPZCGLQI-MRXNPFEDSA-N
XLogP2.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
(3S)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
CID 92906050
1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 136545100
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 9346121
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
CID 112503079
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 110246586
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16942823

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide (CID 97221496) is (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide is CC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3ccc4c(c3)CCC4)no2)C1.
What is the InChIKey of (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is XPVUAKRPZCGLQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(23)22-8-7-16(11-22)19(24)20-18-10-17(21-25-18)15-6-5-13-3-2-4-14(13)9-15/h5-6,9-10,16H,2-4,7-8,11H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide?
(3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97221496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).