(3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine

C17H19N5O — CID 172890523

IUPAC(3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
SMILESCc1ccc2ncnc(N3CC[C@H](NCc4cocn4)C3)c2c1
InChIInChI=1S/C17H19N5O/c1-12-2-3-16-15(6-12)17(20-10-19-16)22-5-4-13(8-22)18-7-14-9-23-11-21-14/h2-3,6,9-11,13,18H,4-5,7-8H2,1H3/t13-/m0/s1
InChIKeyKEENQJZHDDXIJJ-ZDUSSCGKSA-N
MW309.37 g/mol
LogP2.29
Rot. Bonds4

About (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine

(3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 172890523) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
PubChem CID172890523
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
SMILESCc1ccc2ncnc(N3CC[C@H](NCc4cocn4)C3)c2c1
InChIInChI=1S/C17H19N5O/c1-12-2-3-16-15(6-12)17(20-10-19-16)22-5-4-13(8-22)18-7-14-9-23-11-21-14/h2-3,6,9-11,13,18H,4-5,7-8H2,1H3/t13-/m0/s1
InChIKeyKEENQJZHDDXIJJ-ZDUSSCGKSA-N
XLogP2.29
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
CID 119160309
6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133395119
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-6-methylquinazoline
CID 133292091
4-(4-ethylpiperidin-1-yl)quinazolin-6-amine
CID 64589288
1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol
CID 114677655
[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium
CID 59928286

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine (CID 172890523) is (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine is Cc1ccc2ncnc(N3CC[C@H](NCc4cocn4)C3)c2c1.
What is the InChIKey of (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is KEENQJZHDDXIJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-2-3-16-15(6-12)17(20-10-19-16)22-5-4-13(8-22)18-7-14-9-23-11-21-14/h2-3,6,9-11,13,18H,4-5,7-8H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine?
(3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 309.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 172890523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).