N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine

C16H15N5O2S — CID 77082053

IUPACN,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine
SMILESc1cc(-c2ccc(CN(Cc3cocn3)Cc3cocn3)s2)[nH]n1
InChIInChI=1S/C16H15N5O2S/c1-2-16(15-3-4-19-20-15)24-14(1)7-21(5-12-8-22-10-17-12)6-13-9-23-11-18-13/h1-4,8-11H,5-7H2,(H,19,20)
InChIKeyMUUUACCCOZKZNQ-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.32
Rot. Bonds7

About N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine

N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine (PubChem CID 77082053) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine
PubChem CID77082053
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine
SMILESc1cc(-c2ccc(CN(Cc3cocn3)Cc3cocn3)s2)[nH]n1
InChIInChI=1S/C16H15N5O2S/c1-2-16(15-3-4-19-20-15)24-14(1)7-21(5-12-8-22-10-17-12)6-13-9-23-11-18-13/h1-4,8-11H,5-7H2,(H,19,20)
InChIKeyMUUUACCCOZKZNQ-UHFFFAOYSA-N
XLogP3.32
TPSA83.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine?
The IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine (CID 77082053) is N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine?
The canonical SMILES for N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine is c1cc(-c2ccc(CN(Cc3cocn3)Cc3cocn3)s2)[nH]n1.
What is the InChIKey of N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine?
The InChIKey is MUUUACCCOZKZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-2-16(15-3-4-19-20-15)24-14(1)7-21(5-12-8-22-10-17-12)6-13-9-23-11-18-13/h1-4,8-11H,5-7H2,(H,19,20).
What are the key properties of N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine?
N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine has a molecular weight of 341.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,3-oxazol-4-ylmethyl)-1-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 77082053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).