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

C20H21ClN4O — CID 133472500

IUPACN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3nc(C)c(-c4ccc(Cl)cc4)o3)n1)CCCC2
InChIInChI=1S/C20H21ClN4O/c1-12-19(14-7-9-15(21)10-8-14)26-18(23-12)11-22-20-16-5-3-4-6-17(16)24-13(2)25-20/h7-10H,3-6,11H2,1-2H3,(H,22,24,25)
InChIKeyYFNFJGMEGIEVCH-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.89
Rot. Bonds4

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

N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133472500) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133472500
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3nc(C)c(-c4ccc(Cl)cc4)o3)n1)CCCC2
InChIInChI=1S/C20H21ClN4O/c1-12-19(14-7-9-15(21)10-8-14)26-18(23-12)11-22-20-16-5-3-4-6-17(16)24-13(2)25-20/h7-10H,3-6,11H2,1-2H3,(H,22,24,25)
InChIKeyYFNFJGMEGIEVCH-UHFFFAOYSA-N
XLogP4.89
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133472500) is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCc3nc(C)c(-c4ccc(Cl)cc4)o3)n1)CCCC2.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is YFNFJGMEGIEVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-12-19(14-7-9-15(21)10-8-14)26-18(23-12)11-22-20-16-5-3-4-6-17(16)24-13(2)25-20/h7-10H,3-6,11H2,1-2H3,(H,22,24,25).
What are the key properties of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 368.87 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133472500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).