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

C19H19Cl2N5O3 — CID 56666584

IUPAC1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCc1onc(-c2c(Cl)cncc2Cl)c1NC(=O)NCc1ccc(OC(C)C)nc1
InChIInChI=1S/C19H19Cl2N5O3/c1-10(2)28-15-5-4-12(6-23-15)7-24-19(27)25-17-11(3)29-26-18(17)16-13(20)8-22-9-14(16)21/h4-6,8-10H,7H2,1-3H3,(H2,24,25,27)
InChIKeyLNGDCWJHLCMDDN-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.86
Rot. Bonds6

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

1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 56666584) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID56666584
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC Name1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCc1onc(-c2c(Cl)cncc2Cl)c1NC(=O)NCc1ccc(OC(C)C)nc1
InChIInChI=1S/C19H19Cl2N5O3/c1-10(2)28-15-5-4-12(6-23-15)7-24-19(27)25-17-11(3)29-26-18(17)16-13(20)8-22-9-14(16)21/h4-6,8-10H,7H2,1-3H3,(H2,24,25,27)
InChIKeyLNGDCWJHLCMDDN-UHFFFAOYSA-N
XLogP4.86
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 56666584) is 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is Cc1onc(-c2c(Cl)cncc2Cl)c1NC(=O)NCc1ccc(OC(C)C)nc1.
What is the InChIKey of 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is LNGDCWJHLCMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/c1-10(2)28-15-5-4-12(6-23-15)7-24-19(27)25-17-11(3)29-26-18(17)16-13(20)8-22-9-14(16)21/h4-6,8-10H,7H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 436.30 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dichloro-4-pyridinyl)-5-methyl-1,2-oxazol-4-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 56666584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).