N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide

C21H23F3N6O2 — CID 138604899

IUPACN-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)N4CCC(NCCC(F)(F)F)CC4)nc3c2)o1
InChIInChI=1S/C21H23F3N6O2/c1-13-26-12-18(32-13)14-2-3-15-11-27-19(28-17(15)10-14)29-20(31)30-8-4-16(5-9-30)25-7-6-21(22,23)24/h2-3,10-12,16,25H,4-9H2,1H3,(H,27,28,29,31)
InChIKeyIKKUZIBCYDCMRU-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.13
Rot. Bonds5

About N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide

N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide (PubChem CID 138604899) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide
PubChem CID138604899
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC NameN-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)N4CCC(NCCC(F)(F)F)CC4)nc3c2)o1
InChIInChI=1S/C21H23F3N6O2/c1-13-26-12-18(32-13)14-2-3-15-11-27-19(28-17(15)10-14)29-20(31)30-8-4-16(5-9-30)25-7-6-21(22,23)24/h2-3,10-12,16,25H,4-9H2,1H3,(H,27,28,29,31)
InChIKeyIKKUZIBCYDCMRU-UHFFFAOYSA-N
XLogP4.13
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588499
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide
CID 138590666
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-3-morpholin-4-ylpropanamide
CID 138587836
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588241
(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138587389
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
2-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
CID 159853462
(1R,5S)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580317
1-[4-(3,3-difluoropropyl)cyclohexyl]-2-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]ethanone
CID 160960640
4-(2-methoxyethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559234
2-(6-pyrazin-2-ylisoquinolin-3-yl)-1-[4-(3,3,3-trifluoropropylamino)piperidin-1-yl]ethanone
CID 160910766
4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
CID 138589977

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide?
The IUPAC name of N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide (CID 138604899) is N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide is Cc1ncc(-c2ccc3cnc(NC(=O)N4CCC(NCCC(F)(F)F)CC4)nc3c2)o1.
What is the InChIKey of N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide?
The InChIKey is IKKUZIBCYDCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c1-13-26-12-18(32-13)14-2-3-15-11-27-19(28-17(15)10-14)29-20(31)30-8-4-16(5-9-30)25-7-6-21(22,23)24/h2-3,10-12,16,25H,4-9H2,1H3,(H,27,28,29,31).
What are the key properties of N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide?
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxamide is sourced from PubChem (CID 138604899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).