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

C19H21N5O2 — CID 51030162

IUPAC1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3ccc(N)nc3)cc2)on1
InChIInChI=1S/C19H21N5O2/c1-19(2,3)15-10-17(26-24-15)23-18(25)22-14-7-4-12(5-8-14)13-6-9-16(20)21-11-13/h4-11H,1-3H3,(H2,20,21)(H2,22,23,25)
InChIKeyZRYOMQRSRSJWQS-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.26
Rot. Bonds3

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

1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea (PubChem CID 51030162) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
PubChem CID51030162
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3ccc(N)nc3)cc2)on1
InChIInChI=1S/C19H21N5O2/c1-19(2,3)15-10-17(26-24-15)23-18(25)22-14-7-4-12(5-8-14)13-6-9-16(20)21-11-13/h4-11H,1-3H3,(H2,20,21)(H2,22,23,25)
InChIKeyZRYOMQRSRSJWQS-UHFFFAOYSA-N
XLogP4.26
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 66967919
1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
CID 51029614
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
1-[4-(6-amino-3-pyridinyl)phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea;methanesulfonic acid
CID 173035076
2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 67183958
1-[4-[4-amino-6-(1-hydroxyethyl)-6,7-dihydropyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 70993574
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
1-[4-[4-amino-6-(1,3-oxazol-5-yl)-6,7-dihydropyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 70993560
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 170059357
1-[5-(6-amino-3-pyridinyl)-2-pyridinyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
CID 51029796

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea (CID 51030162) is 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3ccc(N)nc3)cc2)on1.
What is the InChIKey of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea?
The InChIKey is ZRYOMQRSRSJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-19(2,3)15-10-17(26-24-15)23-18(25)22-14-7-4-12(5-8-14)13-6-9-16(20)21-11-13/h4-11H,1-3H3,(H2,20,21)(H2,22,23,25).
What are the key properties of 1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea?
1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea has a molecular weight of 351.41 g/mol, XLogP of 4.26, 3 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-(3-tert-butyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 51030162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).