1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea

C17H21N5O3 — CID 125439363

IUPAC1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)N[C@@H]1CCNC1=O
InChIInChI=1S/C17H21N5O3/c1-3-22(17(24)19-13-8-9-18-16(13)23)10-14-20-15(21-25-14)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,18,23)(H,19,24)/t13-/m1/s1
InChIKeySODNONXQNYYENE-CYBMUJFWSA-N
MW343.39 g/mol
LogP1.47
Rot. Bonds5

About 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea

1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea (PubChem CID 125439363) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea
PubChem CID125439363
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)N[C@@H]1CCNC1=O
InChIInChI=1S/C17H21N5O3/c1-3-22(17(24)19-13-8-9-18-16(13)23)10-14-20-15(21-25-14)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,18,23)(H,19,24)/t13-/m1/s1
InChIKeySODNONXQNYYENE-CYBMUJFWSA-N
XLogP1.47
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 7708621
N-ethyl-3,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875273
4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835920
3-(4-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea
CID 17325317
N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide
CID 131945720
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
4-tert-butyl-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835712
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
3-tert-butyl-1-ethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895859
1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653
N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
CID 91769806
N-(2-oxoazepan-3-yl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 75414800

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea (CID 125439363) is 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea is CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)N[C@@H]1CCNC1=O.
What is the InChIKey of 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is SODNONXQNYYENE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-22(17(24)19-13-8-9-18-16(13)23)10-14-20-15(21-25-14)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,18,23)(H,19,24)/t13-/m1/s1.
What are the key properties of 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea?
1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 343.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 125439363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).