N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C19H18F3N5O — CID 134713150

IUPACN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCN(Cc1cc(-c2ccccn2)no1)c1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C19H18F3N5O/c1-27(11-12-10-16(26-28-12)15-8-4-5-9-23-15)18-24-14-7-3-2-6-13(14)17(25-18)19(20,21)22/h4-5,8-10H,2-3,6-7,11H2,1H3
InChIKeyLYPHBRLLGLVJNF-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.06
Rot. Bonds4

About N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 134713150) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID134713150
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCN(Cc1cc(-c2ccccn2)no1)c1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C19H18F3N5O/c1-27(11-12-10-16(26-28-12)15-8-4-5-9-23-15)18-24-14-7-3-2-6-13(14)17(25-18)19(20,21)22/h4-5,8-10H,2-3,6-7,11H2,1H3
InChIKeyLYPHBRLLGLVJNF-UHFFFAOYSA-N
XLogP4.06
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 134704491
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 50967386
N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72871521
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56717670
N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 171686507
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 134705411
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 77084858
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 135116476
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
CID 137255549

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 134713150) is N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is CN(Cc1cc(-c2ccccn2)no1)c1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is LYPHBRLLGLVJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-27(11-12-10-16(26-28-12)15-8-4-5-9-23-15)18-24-14-7-3-2-6-13(14)17(25-18)19(20,21)22/h4-5,8-10H,2-3,6-7,11H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 389.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 134713150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).