1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea

C18H19ClN4O3 — CID 99793991

IUPAC1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1nc(-c2ccccc2Cl)co1
InChIInChI=1S/C18H19ClN4O3/c19-14-4-2-1-3-13(14)15-10-26-18(21-15)22-17(25)20-8-11-7-16(24)23(9-11)12-5-6-12/h1-4,10-12H,5-9H2,(H2,20,21,22,25)/t11-/m1/s1
InChIKeyCRUKEEMTVDAXKS-LLVKDONJSA-N
MW374.83 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea

1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 99793991) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID99793991
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1nc(-c2ccccc2Cl)co1
InChIInChI=1S/C18H19ClN4O3/c19-14-4-2-1-3-13(14)15-10-26-18(21-15)22-17(25)20-8-11-7-16(24)23(9-11)12-5-6-12/h1-4,10-12H,5-9H2,(H2,20,21,22,25)/t11-/m1/s1
InChIKeyCRUKEEMTVDAXKS-LLVKDONJSA-N
XLogP3.13
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]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-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
CID 99820423
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 131892648
N-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167985547
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920119
methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137261
methyl 2-[4-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137260
2-chloro-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 124741356
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 138010415
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea (CID 99793991) is 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea is O=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1nc(-c2ccccc2Cl)co1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is CRUKEEMTVDAXKS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-14-4-2-1-3-13(14)15-10-26-18(21-15)22-17(25)20-8-11-7-16(24)23(9-11)12-5-6-12/h1-4,10-12H,5-9H2,(H2,20,21,22,25)/t11-/m1/s1.
What are the key properties of 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea?
1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 374.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 99793991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).