1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea

C15H26N4O2 — CID 97314273

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
SMILESCCCN1CC[C@@H](CNC(=O)NCc2c(C)noc2C)C1
InChIInChI=1S/C15H26N4O2/c1-4-6-19-7-5-13(10-19)8-16-15(20)17-9-14-11(2)18-21-12(14)3/h13H,4-10H2,1-3H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyICNKYLUZRSBEMG-ZDUSSCGKSA-N
MW294.40 g/mol
LogP1.82
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea (PubChem CID 97314273) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
PubChem CID97314273
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
SMILESCCCN1CC[C@@H](CNC(=O)NCc2c(C)noc2C)C1
InChIInChI=1S/C15H26N4O2/c1-4-6-19-7-5-13(10-19)8-16-15(20)17-9-14-11(2)18-21-12(14)3/h13H,4-10H2,1-3H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyICNKYLUZRSBEMG-ZDUSSCGKSA-N
XLogP1.82
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 97314358
1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95211190
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 47866062
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 60568343
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 138042011
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
CID 82109941
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111453237
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
CID 110936693
1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea (CID 97314273) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea is CCCN1CC[C@@H](CNC(=O)NCc2c(C)noc2C)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
The InChIKey is ICNKYLUZRSBEMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-6-19-7-5-13(10-19)8-16-15(20)17-9-14-11(2)18-21-12(14)3/h13H,4-10H2,1-3H3,(H2,16,17,20)/t13-/m0/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea has a molecular weight of 294.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 97314273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).