[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C19H18ClN7O2S — CID 55911396

IUPAC[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(Cl)s2)=NO1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H18ClN7O2S/c20-17-7-6-16(30-17)14-12-15(29-22-14)18(28)25-8-10-26(11-9-25)19-21-23-24-27(19)13-4-2-1-3-5-13/h1-7,15H,8-12H2
InChIKeyIDDUNNGKNWAMRP-UHFFFAOYSA-N
MW443.92 g/mol
LogP2.22
Rot. Bonds4

About [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 55911396) has the molecular formula C19H18ClN7O2S and a molecular weight of 443.92 g/mol. Its IUPAC name is [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID55911396
Molecular FormulaC19H18ClN7O2S
Molecular Weight443.92 g/mol
Exact Mass443.09
IUPAC Name[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(Cl)s2)=NO1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H18ClN7O2S/c20-17-7-6-16(30-17)14-12-15(29-22-14)18(28)25-8-10-26(11-9-25)19-21-23-24-27(19)13-4-2-1-3-5-13/h1-7,15H,8-12H2
InChIKeyIDDUNNGKNWAMRP-UHFFFAOYSA-N
XLogP2.22
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1302265
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 46600637
[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 97017480
[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636451
[(5R)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 97017227
2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636310
[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 75416202
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600592
3-(5-chlorothiophen-2-yl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55911084
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
N-(1,3-benzodioxol-5-yl)-1-[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 55914234

Frequently Asked Questions

What is the IUPAC name of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 55911396) is [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(C1CC(c2ccc(Cl)s2)=NO1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is IDDUNNGKNWAMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O2S/c20-17-7-6-16(30-17)14-12-15(29-22-14)18(28)25-8-10-26(11-9-25)19-21-23-24-27(19)13-4-2-1-3-5-13/h1-7,15H,8-12H2.
What are the key properties of [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 443.92 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55911396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).