1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea

C19H25N5O3 — CID 118793961

IUPAC1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESCCc1noc(-c2cccc(NC(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2)n1
InChIInChI=1S/C19H25N5O3/c1-2-17-22-18(27-23-17)13-6-5-7-14(10-13)20-19(25)21-15-11-26-12-16(15)24-8-3-4-9-24/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3,(H2,20,21,25)/t15-,16-/m0/s1
InChIKeyWRCMPFKPGYSVIR-HOTGVXAUSA-N
MW371.44 g/mol
LogP2.28
Rot. Bonds5

About 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea

1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea (PubChem CID 118793961) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
PubChem CID118793961
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESCCc1noc(-c2cccc(NC(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2)n1
InChIInChI=1S/C19H25N5O3/c1-2-17-22-18(27-23-17)13-6-5-7-14(10-13)20-19(25)21-15-11-26-12-16(15)24-8-3-4-9-24/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3,(H2,20,21,25)/t15-,16-/m0/s1
InChIKeyWRCMPFKPGYSVIR-HOTGVXAUSA-N
XLogP2.28
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]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-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133138704
1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133129107
(9aS)-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438869
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
CID 156607927
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 72872766
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]urea
CID 118762019
N-cyclohexyl-2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266666
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
2-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)anilino]methylidene]propanedinitrile
CID 168542942

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The IUPAC name of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea (CID 118793961) is 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea.
What is the SMILES notation for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The canonical SMILES for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea is CCc1noc(-c2cccc(NC(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2)n1.
What is the InChIKey of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The InChIKey is WRCMPFKPGYSVIR-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-2-17-22-18(27-23-17)13-6-5-7-14(10-13)20-19(25)21-15-11-26-12-16(15)24-8-3-4-9-24/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3,(H2,20,21,25)/t15-,16-/m0/s1.
What are the key properties of 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea?
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea has a molecular weight of 371.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea is sourced from PubChem (CID 118793961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).