1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea

C16H20N4O3 — CID 96566034

IUPAC1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea
SMILESCOc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)C2CC2)n1
InChIInChI=1S/C16H20N4O3/c1-10(17-16(21)20(2)11-8-9-11)15-18-14(19-23-15)12-6-4-5-7-13(12)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)/t10-/m1/s1
InChIKeyDANBQWOUGHCQMW-SNVBAGLBSA-N
MW316.36 g/mol
LogP2.61
Rot. Bonds5

About 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea

1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea (PubChem CID 96566034) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea
PubChem CID96566034
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea
SMILESCOc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)C2CC2)n1
InChIInChI=1S/C16H20N4O3/c1-10(17-16(21)20(2)11-8-9-11)15-18-14(19-23-15)12-6-4-5-7-13(12)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)/t10-/m1/s1
InChIKeyDANBQWOUGHCQMW-SNVBAGLBSA-N
XLogP2.61
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449613
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119817239
(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 119817224
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101380
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124886787
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 124886793
2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119342802
(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120936859
(1S)-N-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohex-2-en-1-amine
CID 124888888
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270
(3R,4S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936863
(3R,4S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936862

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea?
The IUPAC name of 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea (CID 96566034) is 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea.
What is the SMILES notation for 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea?
The canonical SMILES for 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea is COc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea?
The InChIKey is DANBQWOUGHCQMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(17-16(21)20(2)11-8-9-11)15-18-14(19-23-15)12-6-4-5-7-13(12)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)/t10-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea?
1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea has a molecular weight of 316.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea is sourced from PubChem (CID 96566034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).