1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C15H22ClN5O2 — CID 71920782

IUPAC1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(C)c1noc(CCNC(=O)N(C)Cc2cc(Cl)cn2C)n1
InChIInChI=1S/C15H22ClN5O2/c1-10(2)14-18-13(23-19-14)5-6-17-15(22)21(4)9-12-7-11(16)8-20(12)3/h7-8,10H,5-6,9H2,1-4H3,(H,17,22)
InChIKeyRSBRXUPCTQZMPE-UHFFFAOYSA-N
MW339.83 g/mol
LogP2.57
Rot. Bonds6

About 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 71920782) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID71920782
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Name1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(C)c1noc(CCNC(=O)N(C)Cc2cc(Cl)cn2C)n1
InChIInChI=1S/C15H22ClN5O2/c1-10(2)14-18-13(23-19-14)5-6-17-15(22)21(4)9-12-7-11(16)8-20(12)3/h7-8,10H,5-6,9H2,1-4H3,(H,17,22)
InChIKeyRSBRXUPCTQZMPE-UHFFFAOYSA-N
XLogP2.57
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]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-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111799
N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide
CID 154750190
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-[(2S)-2-(2-methoxyphenyl)propyl]-1-methylurea
CID 97223703
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 75468741
(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 95552052
1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 121497199
2-hydroxy-2-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 111538352
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95934487
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 71868282
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 49031740
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 71920782) is 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is CC(C)c1noc(CCNC(=O)N(C)Cc2cc(Cl)cn2C)n1.
What is the InChIKey of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is RSBRXUPCTQZMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O2/c1-10(2)14-18-13(23-19-14)5-6-17-15(22)21(4)9-12-7-11(16)8-20(12)3/h7-8,10H,5-6,9H2,1-4H3,(H,17,22).
What are the key properties of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 339.83 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 71920782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).