N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

C18H21N5O3S — CID 142582779

IUPACN-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3cc(-c4ncco4)ccc23)C1
InChIInChI=1S/C18H21N5O3S/c1-27(24,25)22-10-13-3-2-7-23(11-13)17-15-5-4-14(18-19-6-8-26-18)9-16(15)20-12-21-17/h4-6,8-9,12-13,22H,2-3,7,10-11H2,1H3
InChIKeyLGWSLRHKNZIONN-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.05
Rot. Bonds5

About N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 142582779) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID142582779
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3cc(-c4ncco4)ccc23)C1
InChIInChI=1S/C18H21N5O3S/c1-27(24,25)22-10-13-3-2-7-23(11-13)17-15-5-4-14(18-19-6-8-26-18)9-16(15)20-12-21-17/h4-6,8-9,12-13,22H,2-3,7,10-11H2,1H3
InChIKeyLGWSLRHKNZIONN-UHFFFAOYSA-N
XLogP2.05
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 52874103
N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 95348327
4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 142582643
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 86882662
N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
CID 142582846
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
CID 168791226
tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]carbamate;[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanamine;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;methanesulfonyl chloride;hydrochloride
CID 158804492
4-chloro-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 139577516
N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 162490546

Frequently Asked Questions

What is the IUPAC name of N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 142582779) is N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2ncnc3cc(-c4ncco4)ccc23)C1.
What is the InChIKey of N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is LGWSLRHKNZIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-27(24,25)22-10-13-3-2-7-23(11-13)17-15-5-4-14(18-19-6-8-26-18)9-16(15)20-12-21-17/h4-6,8-9,12-13,22H,2-3,7,10-11H2,1H3.
What are the key properties of N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 142582779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).