(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

C14H18N4O2S — CID 99777440

IUPAC(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@@H]2COCCN2Cc2csc(C3CC3)n2)n1
InChIInChI=1S/C14H18N4O2S/c1-9-15-13(20-17-9)12-7-19-5-4-18(12)6-11-8-21-14(16-11)10-2-3-10/h8,10,12H,2-7H2,1H3/t12-/m0/s1
InChIKeyBGVNHHKTDYXFTL-LBPRGKRZSA-N
MW306.39 g/mol
LogP2.29
Rot. Bonds4

About (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 99777440) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID99777440
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@@H]2COCCN2Cc2csc(C3CC3)n2)n1
InChIInChI=1S/C14H18N4O2S/c1-9-15-13(20-17-9)12-7-19-5-4-18(12)6-11-8-21-14(16-11)10-2-3-10/h8,10,12H,2-7H2,1H3/t12-/m0/s1
InChIKeyBGVNHHKTDYXFTL-LBPRGKRZSA-N
XLogP2.29
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
CID 97332909
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
CID 99825829
4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 91650718
(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 124622170
3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
CID 99825863
4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126794730
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
CID 99825862
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 99830623
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462080
N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
CID 99777442
2-[(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699245
(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
CID 99714734

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (CID 99777440) is (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is Cc1noc([C@@H]2COCCN2Cc2csc(C3CC3)n2)n1.
What is the InChIKey of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is BGVNHHKTDYXFTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-15-13(20-17-9)12-7-19-5-4-18(12)6-11-8-21-14(16-11)10-2-3-10/h8,10,12H,2-7H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 306.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 99777440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).