1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea

C19H19F2N5O2 — CID 51029614

IUPAC1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
SMILESCC(CF)(CF)c1cc(NC(=O)Nc2ccc(-c3ccc(N)nc3)cc2)no1
InChIInChI=1S/C19H19F2N5O2/c1-19(10-20,11-21)15-8-17(26-28-15)25-18(27)24-14-5-2-12(3-6-14)13-4-7-16(22)23-9-13/h2-9H,10-11H2,1H3,(H2,22,23)(H2,24,25,26,27)
InChIKeyQFLIUMCUTREBRL-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.16
Rot. Bonds6

About 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea

1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea (PubChem CID 51029614) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea.

Molecular Properties

Compound Name1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
PubChem CID51029614
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
SMILESCC(CF)(CF)c1cc(NC(=O)Nc2ccc(-c3ccc(N)nc3)cc2)no1
InChIInChI=1S/C19H19F2N5O2/c1-19(10-20,11-21)15-8-17(26-28-15)25-18(27)24-14-5-2-12(3-6-14)13-4-7-16(22)23-9-13/h2-9H,10-11H2,1H3,(H2,22,23)(H2,24,25,26,27)
InChIKeyQFLIUMCUTREBRL-UHFFFAOYSA-N
XLogP4.16
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
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phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
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1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]phenyl]urea
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1-[4-(6-amino-3-pyridinyl)phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea;methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea?
The IUPAC name of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea (CID 51029614) is 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea.
What is the SMILES notation for 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea?
The canonical SMILES for 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea is CC(CF)(CF)c1cc(NC(=O)Nc2ccc(-c3ccc(N)nc3)cc2)no1.
What is the InChIKey of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea?
The InChIKey is QFLIUMCUTREBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-19(10-20,11-21)15-8-17(26-28-15)25-18(27)24-14-5-2-12(3-6-14)13-4-7-16(22)23-9-13/h2-9H,10-11H2,1H3,(H2,22,23)(H2,24,25,26,27).
What are the key properties of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea?
1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea has a molecular weight of 387.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 51029614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).