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

C20H18N6O2 — CID 10362034

IUPAC1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C20H18N6O2/c1-2-12-4-3-5-15(10-12)25-20(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)28-26-17/h3-11H,2H2,1H3,(H2,21,22,23)(H2,24,25,27)
InChIKeyXDGUQWMBCHDRBW-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.07
Rot. Bonds4

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

1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea (PubChem CID 10362034) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea
PubChem CID10362034
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C20H18N6O2/c1-2-12-4-3-5-15(10-12)25-20(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)28-26-17/h3-11H,2H2,1H3,(H2,21,22,23)(H2,24,25,27)
InChIKeyXDGUQWMBCHDRBW-UHFFFAOYSA-N
XLogP4.07
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 16023700
2-{[3-(4-Fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino}butan-1-ol
CID 20924767
2-{[3-(4-Fluorophenyl)isoxazolo[5,4-D]pyrimidin-4-YL]amino}-2-methyl-1-propanol
CID 20924768
2-{Ethyl[3-(4-fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino}ethanol
CID 20924775
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 10025788
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-m-tolylurea
CID 10067064
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 10409523
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
6-(3,5-dimethylisoxazol-4-yl)-N-(3-methylbenzyl)quinazolin-4-amine
CID 3234644
3-(3-chlorophenyl)-N-cyclohexylisoxazolo[5,4-d]pyrimidin-4-amine
CID 16009357
3-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
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-ethylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea (CID 10362034) is 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea is CCc1cccc(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-ethylphenyl)urea?
The InChIKey is XDGUQWMBCHDRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-2-12-4-3-5-15(10-12)25-20(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)28-26-17/h3-11H,2H2,1H3,(H2,21,22,23)(H2,24,25,27).
What are the key properties of 1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea?
1-[4-(4-amino-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)phenyl]-3-(3-ethylphenyl)urea has a molecular weight of 374.40 g/mol, XLogP of 4.07, 4 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-ethylphenyl)urea is sourced from PubChem (CID 10362034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).