5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide

C32H33N5O3 — CID 58625137

IUPAC5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide
SMILESNC1=Nc2ccc(Oc3ccccc3)cc2CN1C(Cc1ccccc1)c1ocnc1C(=O)NC1CCCCC1
InChIInChI=1S/C32H33N5O3/c33-32-36-27-17-16-26(40-25-14-8-3-9-15-25)19-23(27)20-37(32)28(18-22-10-4-1-5-11-22)30-29(34-21-39-30)31(38)35-24-12-6-2-7-13-24/h1,3-5,8-11,14-17,19,21,24,28H,2,6-7,12-13,18,20H2,(H2,33,36)(H,35,38)
InChIKeyWMMLGYHXVHXNFA-UHFFFAOYSA-N
MW535.65 g/mol
LogP6.28
Rot. Bonds8

About 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide

5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide (PubChem CID 58625137) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide
PubChem CID58625137
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC Name5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide
SMILESNC1=Nc2ccc(Oc3ccccc3)cc2CN1C(Cc1ccccc1)c1ocnc1C(=O)NC1CCCCC1
InChIInChI=1S/C32H33N5O3/c33-32-36-27-17-16-26(40-25-14-8-3-9-15-25)19-23(27)20-37(32)28(18-22-10-4-1-5-11-22)30-29(34-21-39-30)31(38)35-24-12-6-2-7-13-24/h1,3-5,8-11,14-17,19,21,24,28H,2,6-7,12-13,18,20H2,(H2,33,36)(H,35,38)
InChIKeyWMMLGYHXVHXNFA-UHFFFAOYSA-N
XLogP6.28
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)propyl]cyclohexanecarboxamide;methane
CID 160578498
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CID 67023485
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 68888174
2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
CID 19692174
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]-3-methyl-3-phenylbutanoic acid
CID 70412679
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
CID 59428164
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide (CID 58625137) is 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide is NC1=Nc2ccc(Oc3ccccc3)cc2CN1C(Cc1ccccc1)c1ocnc1C(=O)NC1CCCCC1.
What is the InChIKey of 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide?
The InChIKey is WMMLGYHXVHXNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3/c33-32-36-27-17-16-26(40-25-14-8-3-9-15-25)19-23(27)20-37(32)28(18-22-10-4-1-5-11-22)30-29(34-21-39-30)31(38)35-24-12-6-2-7-13-24/h1,3-5,8-11,14-17,19,21,24,28H,2,6-7,12-13,18,20H2,(H2,33,36)(H,35,38).
What are the key properties of 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide?
5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide has a molecular weight of 535.65 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-phenylethyl]-N-cyclohexyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58625137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).