1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

C22H23N5O2 — CID 122182070

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCc1ccn2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2c1
InChIInChI=1S/C22H23N5O2/c1-14-9-10-27-13-17(24-20(27)11-14)15-5-7-16(8-6-15)23-21(28)25-19-12-18(29-26-19)22(2,3)4/h5-13H,1-4H3,(H2,23,25,26,28)
InChIKeyYTNJUVVQZQPCCU-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.24
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 122182070) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
PubChem CID122182070
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCc1ccn2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2c1
InChIInChI=1S/C22H23N5O2/c1-14-9-10-27-13-17(24-20(27)11-14)15-5-7-16(8-6-15)23-21(28)25-19-12-18(29-26-19)22(2,3)4/h5-13H,1-4H3,(H2,23,25,26,28)
InChIKeyYTNJUVVQZQPCCU-UHFFFAOYSA-N
XLogP5.24
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 122182070) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is Cc1ccn2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2c1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The InChIKey is YTNJUVVQZQPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-9-10-27-13-17(24-20(27)11-14)15-5-7-16(8-6-15)23-21(28)25-19-12-18(29-26-19)22(2,3)4/h5-13H,1-4H3,(H2,23,25,26,28).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 389.46 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 122182070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).