(5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H23N3O3 — CID 125168066

IUPAC(5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC1=NO[C@H](C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H23N3O3/c1-2-15-11-16(24-20-15)17(22)19-12-13-5-7-14(8-6-13)18(23)21-9-3-4-10-21/h5-8,16H,2-4,9-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyLIAVPNCSWQNUKD-INIZCTEOSA-N
MW329.40 g/mol
LogP2.09
Rot. Bonds5

About (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 125168066) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID125168066
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC1=NO[C@H](C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H23N3O3/c1-2-15-11-16(24-20-15)17(22)19-12-13-5-7-14(8-6-13)18(23)21-9-3-4-10-21/h5-8,16H,2-4,9-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyLIAVPNCSWQNUKD-INIZCTEOSA-N
XLogP2.09
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
(2S)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24516955
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154903655
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
N'-methyl-4-(oxolane-2-carbonyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111300441

Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 125168066) is (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCC1=NO[C@H](C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1.
What is the InChIKey of (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LIAVPNCSWQNUKD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-15-11-16(24-20-15)17(22)19-12-13-5-7-14(8-6-13)18(23)21-9-3-4-10-21/h5-8,16H,2-4,9-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 125168066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).