1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea

C19H16N6O2 — CID 10067064

IUPAC1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C19H16N6O2/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
InChIKeyKTQYQHLIMZOBSM-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.82
Rot. Bonds3

About 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 10067064) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID10067064
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C19H16N6O2/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
InChIKeyKTQYQHLIMZOBSM-UHFFFAOYSA-N
XLogP3.82
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10025788
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CID 10362034
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CID 10409523
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CID 17757086
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CID 3234644
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CID 16009357
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CID 16009414
CID 16009414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea (CID 10067064) is 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is KTQYQHLIMZOBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26).
What are the key properties of 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 360.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 10067064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).