N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

C17H13N5O3S — CID 119069644

IUPACN,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESO=C(c1cnc(-c2cccs2)nc1)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C17H13N5O3S/c23-17(12-4-18-16(19-5-12)15-2-1-3-26-15)22(6-13-8-24-10-20-13)7-14-9-25-11-21-14/h1-5,8-11H,6-7H2
InChIKeyOVZJJOBHTISNSA-UHFFFAOYSA-N
MW367.39 g/mol
LogP3.02
Rot. Bonds6

About N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 119069644) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID119069644
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC NameN,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESO=C(c1cnc(-c2cccs2)nc1)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C17H13N5O3S/c23-17(12-4-18-16(19-5-12)15-2-1-3-26-15)22(6-13-8-24-10-20-13)7-14-9-25-11-21-14/h1-5,8-11H,6-7H2
InChIKeyOVZJJOBHTISNSA-UHFFFAOYSA-N
XLogP3.02
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (CID 119069644) is N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is O=C(c1cnc(-c2cccs2)nc1)N(Cc1cocn1)Cc1cocn1.
What is the InChIKey of N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is OVZJJOBHTISNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c23-17(12-4-18-16(19-5-12)15-2-1-3-26-15)22(6-13-8-24-10-20-13)7-14-9-25-11-21-14/h1-5,8-11H,6-7H2.
What are the key properties of N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 119069644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).