1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea

C23H25ClN4O4 — CID 56683480

IUPAC1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea
SMILESCc1onc(-c2ccccc2Cl)c1N(C)C(=O)NCc1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C23H25ClN4O4/c1-15-22(21(27-32-15)18-5-3-4-6-19(18)24)28(2)23(29)26-14-16-7-8-20(25-13-16)31-17-9-11-30-12-10-17/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyUIKFNFVOGNVNOT-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.60
Rot. Bonds6

About 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea

1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea (PubChem CID 56683480) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea
PubChem CID56683480
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC Name1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea
SMILESCc1onc(-c2ccccc2Cl)c1N(C)C(=O)NCc1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C23H25ClN4O4/c1-15-22(21(27-32-15)18-5-3-4-6-19(18)24)28(2)23(29)26-14-16-7-8-20(25-13-16)31-17-9-11-30-12-10-17/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,29)
InChIKeyUIKFNFVOGNVNOT-UHFFFAOYSA-N
XLogP4.60
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

(6-propan-2-yloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204472
(6-cyclopentyloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204473
(6-propan-2-yloxy-3-pyridinyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate
CID 25204535
1-[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea
CID 25204603
1-[3-(2,6-Dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 25204669
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 42630774
6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 57520680
2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 56680137
1-[3-(2,6-Dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea
CID 25204736
{6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridin-3-yl}-morpholin-4-yl-methanone
CID 42630775
6-[3-(3-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 57520180
1-[6-(4-Tert-butylphenoxy)-3-pyridinyl]-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea
CID 2798102

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea (CID 56683480) is 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea is Cc1onc(-c2ccccc2Cl)c1N(C)C(=O)NCc1ccc(OC2CCOCC2)nc1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea?
The InChIKey is UIKFNFVOGNVNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-15-22(21(27-32-15)18-5-3-4-6-19(18)24)28(2)23(29)26-14-16-7-8-20(25-13-16)31-17-9-11-30-12-10-17/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,29).
What are the key properties of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea?
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea has a molecular weight of 456.93 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methyl-3-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 56683480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).