1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea

C17H21N5O2 — CID 94640742

IUPAC1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea
SMILESC[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1nc(C2CC2)no1
InChIInChI=1S/C17H21N5O2/c1-10(16-21-15(22-24-16)11-2-3-11)18-12-4-6-13(7-5-12)19-17(23)20-14-8-9-14/h4-7,10-11,14,18H,2-3,8-9H2,1H3,(H2,19,20,23)/t10-/m0/s1
InChIKeyACPZSIXYVZJXPR-JTQLQIEISA-N
MW327.39 g/mol
LogP3.40
Rot. Bonds6

About 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea

1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea (PubChem CID 94640742) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea
PubChem CID94640742
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea
SMILESC[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1nc(C2CC2)no1
InChIInChI=1S/C17H21N5O2/c1-10(16-21-15(22-24-16)11-2-3-11)18-12-4-6-13(7-5-12)19-17(23)20-14-8-9-14/h4-7,10-11,14,18H,2-3,8-9H2,1H3,(H2,19,20,23)/t10-/m0/s1
InChIKeyACPZSIXYVZJXPR-JTQLQIEISA-N
XLogP3.40
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoro-4-pyrrolidin-1-ylaniline
CID 71889758
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
CID 97232042
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 95324847
1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
CID 97337891
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline
CID 55913329
3-[3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 71939095
1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea
CID 133317283
1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 97444345

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea (CID 94640742) is 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea is C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1nc(C2CC2)no1.
What is the InChIKey of 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea?
The InChIKey is ACPZSIXYVZJXPR-JTQLQIEISA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(16-21-15(22-24-16)11-2-3-11)18-12-4-6-13(7-5-12)19-17(23)20-14-8-9-14/h4-7,10-11,14,18H,2-3,8-9H2,1H3,(H2,19,20,23)/t10-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea?
1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea has a molecular weight of 327.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea is sourced from PubChem (CID 94640742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).