N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C23H33N5O3 — CID 110237872

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC1CN(c2ncc3c(n2)CC(C)(C)CC3NC(=O)c2cc(C(C)C)on2)CC(C)O1
InChIInChI=1S/C23H33N5O3/c1-13(2)20-7-17(27-31-20)21(29)25-18-8-23(5,6)9-19-16(18)10-24-22(26-19)28-11-14(3)30-15(4)12-28/h7,10,13-15,18H,8-9,11-12H2,1-6H3,(H,25,29)
InChIKeySJHRWJPRWGFDNT-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.65
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 110237872) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID110237872
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC1CN(c2ncc3c(n2)CC(C)(C)CC3NC(=O)c2cc(C(C)C)on2)CC(C)O1
InChIInChI=1S/C23H33N5O3/c1-13(2)20-7-17(27-31-20)21(29)25-18-8-23(5,6)9-19-16(18)10-24-22(26-19)28-11-14(3)30-15(4)12-28/h7,10,13-15,18H,8-9,11-12H2,1-6H3,(H,25,29)
InChIKeySJHRWJPRWGFDNT-UHFFFAOYSA-N
XLogP3.65
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-methoxyacetamide
CID 110245485
N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide
CID 110237861
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 26390488
N-[(5R)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-pyrazole-4-carboxamide
CID 42302158
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110237898
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 25461451
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-6-methylpyridine-3-carboxamide
CID 25384827
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide
CID 110237920
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide
CID 97117496
N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide
CID 45241281
N-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)cyclohexanecarboxamide
CID 45221847
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide
CID 25298905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 110237872) is N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC1CN(c2ncc3c(n2)CC(C)(C)CC3NC(=O)c2cc(C(C)C)on2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SJHRWJPRWGFDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-13(2)20-7-17(27-31-20)21(29)25-18-8-23(5,6)9-19-16(18)10-24-22(26-19)28-11-14(3)30-15(4)12-28/h7,10,13-15,18H,8-9,11-12H2,1-6H3,(H,25,29).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110237872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).