1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea

C20H18N6O2 — CID 162662256

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(CNc3ncnc4ccccc34)c2)no1
InChIInChI=1S/C20H18N6O2/c1-13-9-18(26-28-13)25-20(27)24-15-6-4-5-14(10-15)11-21-19-16-7-2-3-8-17(16)22-12-23-19/h2-10,12H,11H2,1H3,(H,21,22,23)(H2,24,25,26,27)
InChIKeyKYQMUYAKNGHQKN-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.18
Rot. Bonds5

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea (PubChem CID 162662256) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea
PubChem CID162662256
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(CNc3ncnc4ccccc34)c2)no1
InChIInChI=1S/C20H18N6O2/c1-13-9-18(26-28-13)25-20(27)24-15-6-4-5-14(10-15)11-21-19-16-7-2-3-8-17(16)22-12-23-19/h2-10,12H,11H2,1H3,(H,21,22,23)(H2,24,25,26,27)
InChIKeyKYQMUYAKNGHQKN-UHFFFAOYSA-N
XLogP4.18
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[3-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]urea
CID 162663780
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46553294
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
4-[[3-[[2-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763633
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]urea
CID 56658587
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea (CID 162662256) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea is Cc1cc(NC(=O)Nc2cccc(CNc3ncnc4ccccc34)c2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea?
The InChIKey is KYQMUYAKNGHQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-9-18(26-28-13)25-20(27)24-15-6-4-5-14(10-15)11-21-19-16-7-2-3-8-17(16)22-12-23-19/h2-10,12H,11H2,1H3,(H,21,22,23)(H2,24,25,26,27).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea has a molecular weight of 374.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea is sourced from PubChem (CID 162662256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).